1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride

C16H26ClNO3 — CID 69399771

IUPAC1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
SMILESCOc1cc(CC2CCCO2)c(OC)cc1CC(C)N.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-11(17)7-12-9-16(19-3)13(10-15(12)18-2)8-14-5-4-6-20-14;/h9-11,14H,4-8,17H2,1-3H3;1H
InChIKeyWUOUFHDWEDMALX-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.74
Rot. Bonds6

About 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride

1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride (PubChem CID 69399771) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
PubChem CID69399771
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
SMILESCOc1cc(CC2CCCO2)c(OC)cc1CC(C)N.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-11(17)7-12-9-16(19-3)13(10-15(12)18-2)8-14-5-4-6-20-14;/h9-11,14H,4-8,17H2,1-3H3;1H
InChIKeyWUOUFHDWEDMALX-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 86786122
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride (CID 69399771) is 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride is COc1cc(CC2CCCO2)c(OC)cc1CC(C)N.Cl.
What is the InChIKey of 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride?
The InChIKey is WUOUFHDWEDMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-11(17)7-12-9-16(19-3)13(10-15(12)18-2)8-14-5-4-6-20-14;/h9-11,14H,4-8,17H2,1-3H3;1H.
What are the key properties of 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride?
1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 69399771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).